Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C31H31F3N2O5S.2Na |
| Molecular Weight | 646.628 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[Na+].CCC[C@@]2(CCC1=CC=CC=C1)CC([O-])=C([C@H](CC)C3=CC=CC([N-]S(=O)(=O)C4=NC=C(C=C4)C(F)(F)F)=C3)C(=O)O2
InChI
InChIKey=ZBWMQTUSVWBMQE-KPHXKKTMSA-M
InChI=1S/C31H32F3N2O5S.2Na/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34;;/h5-14,18,20,25H,3-4,15-17,19H2,1-2H3,(H,37,38);;/q-1;2*+1/p-1/t25-,30-;;/m1../s1
Approval Year
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Code | English |
| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C97366
Created by
admin on Fri Dec 15 15:55:09 UTC 2023 , Edited by admin on Fri Dec 15 15:55:09 UTC 2023
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JJ-76
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DTXSID80940718
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163296
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191150-83-1
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9BAN2XG1ZW
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C66604
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DBSALT001882
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CHEMBL222559
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ACTIVE MOIETY
SUBSTANCE RECORD
